N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[(E)-(5-bromo-2-methoxy-benzylidene)amino]-1-(4-nitrobenzyl)isonipecotamide Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC(=O)C2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O4/c1-30-20-7-4-18(22)12-17(20)13-23-24-21(27)16-8-10-25(11-9-16)14-15-2-5-19(6-3-15)26(28)29/h2-7,12-13,16H,8-11,14H2,1H3,(H,24,27)/b23-13+